GD003955

Name:

None

Formula:

C20H37O33N3S6

Smiles:

O=C(O)[C@@H]1O[C@H](O[C@@H]2[C@H](COS(=O)(=O)O)O[C@H](OCCNS(=O)(=O)O)[C@H](NS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1NS(=O)(=O)O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)NCCO.O=S(=O)(O)O

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL4597820

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD00083

Formula: H3O3NS

Smiles:

NS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-1.25	Num_rotatable_bonds:	0
MolWt:	97.09	Num_heavy_atoms:	5
TPSA:	80.39	NumAromaticRings:	0

AD03096

Formula: C2H7O4NS

Smiles:

O=S(=O)(O)NCCO

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.63	Num_rotatable_bonds:	3
MolWt:	141.15	Num_heavy_atoms:	8
TPSA:	86.63	NumAromaticRings:	0